Glycoside
GD032493
Name:
2-[(6-{7-hydroxy-4-methoxy-3a,6,6,9b,11a-pentamethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl}-2-methylhept-2-en-4-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C37H62O8Smiles:
CO[C@@H]1C=C2[C@H](CC[C@H](O)C2(C)C)[C@]2(C)CC[C@]3(C)[C@H]([C@H](C)C[C@H](C=C(C)C)O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)CC[C@@]3(C)[C@H]12Aglycone:
COC1C=C2C(CCC(O)C2(C)C)C2(C)CCC3(C)C(C(C)CC(O)C=C(C)C)CCC3(C)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.89 |
| AlogP: | 4.75 | Num_rotatable_bonds: | 8 |
| MolWt: | 634.9 | Num_heavy_atoms: | 45 |
| TPSA: | 128.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD05436
Formula: C31H52O3
Smiles:
COC1C=C2C(CCC(O)C2(C)C)C2(C)CCC3(C)C(C(C)CC(O)C=C(C)C)CCC3(C)C12| HBA: | 3 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.87 |
| AlogP: | 6.93 | Num_rotatable_bonds: | 5 |
| MolWt: | 472.75 | Num_heavy_atoms: | 34 |
| TPSA: | 49.69 | NumAromaticRings: | 0 |
